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ENAMINE-ZINC02630648

 MMsINC code: MMs01261961
Type: Neutral
Formula: C19H20N2O4
SMILES:   O1CCCC1COc1ccc(cc1)C(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C19H20N2O4/c22-18(14-5-2-1-3-6-14)20-21-19(23)15-8-10-16(11-9-15)25-13-17-7-4-12-24-17/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,20,22)(H,21,23)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -4.3288  SlogP: 2.3192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00916655  Sterimol/B1: 3.19367  Sterimol/B2: 3.27446  Sterimol/B3: 3.7602
  Sterimol/B4: 5.50862  Sterimol/L: 21.6616 
 
 Surface and Volume Properties
  Accessible surface: 629.809  Positive charged surface: 379.727  Negative charged surface: 250.082  Volume: 324.25
  Hydrophobic surface: 517.722  Hydrophilic surface: 112.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.